CID 206153

Brn 2161088

Structural Information

Molecular Formula
C21H25NO2
SMILES
CCN(CC)CC1=C(C=CC2=C1C=CC3=CC=CC=C3C2O)OC
InChI
InChI=1S/C21H25NO2/c1-4-22(5-2)14-19-17-11-10-15-8-6-7-9-16(15)21(23)18(17)12-13-20(19)24-3/h6-13,21,23H,4-5,14H2,1-3H3
InChIKey
RZTROXDJYTXGSW-UHFFFAOYSA-N
Compound name
7-(diethylaminomethyl)-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 176.6
[M+Na]+ 346.17776 182.8
[M-H]- 322.18126 183.3
[M+NH4]+ 341.22236 192.4
[M+K]+ 362.15170 183.4
[M+H-H2O]+ 306.18580 171.0
[M+HCOO]- 368.18674 196.7
[M+CH3COO]- 382.20239 216.5
[M+Na-2H]- 344.16321 180.8
[M]+ 323.18799 178.1
[M]- 323.18909 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.